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SA 2572

CAT: 0931-T71406-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71406-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112946-90-4
Target
Others
Related Pathways
Others
Bioactivity
SA 2572 is a newly synthesized Ca2+ antagonist having a inhibitory effect on the fast Na+ inward channel.
Smiles
C(C)(=O)N1[C@@H](SC=2C1=CC=CC2)C3=C(OCCCCN(CCC4=CC(OC)=C(OC)C(OC)=C4)C)C=CC(OC)=C3.Cl
Molecular Formula
C32H41ClN2O6S
Molecular Weight
617.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SA 2572

structure given in first source

CAS Number112946-90-4
PubChem CID194993
IUPAC Name1-[(2S)-2-[5-methoxy-2-[4-[methyl-[2-(3,4,5-trimethoxyphenyl)ethyl]amino]butoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone;hydrochloride
Molecular FormulaC32H41ClN2O6S
Molecular Weight617.2
Topological Polar Surface Area95
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count42
Formal Charge0
Complexity777
SMILES
CC(=O)N1[C@@H](SC2=CC=CC=C21)C3=C(C=CC(=C3)OC)OCCCCN(C)CCC4=CC(=C(C(=C4)OC)OC)OC.Cl
InChI
InChI=1S/C32H40N2O6S.ClH/c1-22(35)34-26-11-7-8-12-30(26)41-32(34)25-21-24(36-3)13-14-27(25)40-18-10-9-16-33(2)17-15-23-19-28(37-4)31(39-6)29(20-23)38-5;/h7-8,11-14,19-21,32H,9-10,15-18H2,1-6H3;1H/t32-;/m0./s1
InChIKey
AONMOOKWGFXUKH-UCRKPPETSA-N
Chemical Structure
2D Structure
2D structure of SA 2572
CAS: 112946-90-4
CID: 194993
Formula: C32H41ClN2O6S
MW: 617.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight617.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass616.2373859
Monoisotopic Mass616.2373859
Topological Polar Surface Area95 Ų
Heavy Atom Count42
Formal Charge0
Complexity777
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
MBS5813944SA 2572
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